Account Daclatasvir Impurity B
- Catalog No. :
- ACRGCM311
- CAS No. :
- 2226541-13-3
- Molecular Formula :
- C35H41N7O4
- Molecular Weight :
- 623.76
IUPAC Name:methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-acetylpyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
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Product Information
| Product Name | Daclatasvir Impurity B |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-acetylpyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| Molecular Formula | C35H41N7O4 |
| Molecular Weight | 623.76 |
| SMILES | COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC=C(C2=CC=C(C3=CC=C(C4=CN=C([C@@H]5CCCN5C(C)=O)N4)C=C3)C=C2)N1)C(C)C |
| InChI Key | JYVHPJBIMHHKQX-CHQNGUEUSA-N |
| Synonym | Daclatasvir impurity 15/N-[(1S)-1-[[(2S)-2-[5-[4’-[2-[(2S)-1-Acetyl-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1’-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-methyl ester carbamic acid;Carbamic acid, N-[(1S)-1-[[(2S)-2-[5-[4'-[2-[(2S)-1-acetyl-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester;N-[(1S)-1-[[(2S)-2-[5-[4'-[2-[(2S)-1-Acetyl-2-pyrrolidinyl]-1H-imidazol-5-yl][1,1'-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-, methyl ester carbamic acid;Methyl ((S)-1-((S)-2-(5-(4''-(2-((S)-1-acetylpyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1''-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate;Daclatasvir Impurity 16/Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-acetylpyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate;Mono-N-desvalinyl,-N-acetyl Daclatasvir;Daclatasvir Acetyl impurity: Methyl [(2S)-1-(2S)-2-[5-(4'-2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-ylbiphenyl -4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl-3-methyl-1-oxobutan-2-yl]carbamate |
| CAS No. | 2226541-13-3 |
Synthetic Route by SureRoute
2. ACRGCM311 Molecular Building Block Synthetic Route
Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
Methyl ((S)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate dihydrochloride
Methyl ((R)-1-((S)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-D-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate